# generated using pymatgen
data_TcAg2IF12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98152636
_cell_length_b   4.98152652
_cell_length_c   9.33602410
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.35326052
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAg2IF12
_chemical_formula_sum   'Tc1 Ag2 I1 F12'
_cell_volume   231.01069939
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Tc  Tc0  1  0.00000000  0.00000000  0.00000000  1.0
  Ag  Ag1  1  0.50000000  0.50000000  0.21374182  1.0
  Ag  Ag2  1  0.50000000  0.50000000  0.78625818  1.0
  I  I3  1  0.00000000  0.00000000  0.50000000  1.0
  F  F4  1  0.28596743  0.28596743  0.00000000  1.0
  F  F5  1  0.71403257  0.71403257  0.00000000  1.0
  F  F6  1  0.73040796  0.26959204  0.50000000  1.0
  F  F7  1  0.26959204  0.73040796  0.50000000  1.0
  F  F8  1  0.21226588  0.21226588  0.35157438  1.0
  F  F9  1  0.78773412  0.78773412  0.64842562  1.0
  F  F10  1  0.78773412  0.78773412  0.35157438  1.0
  F  F11  1  0.81699226  0.18300774  0.85829898  1.0
  F  F12  1  0.81699226  0.18300774  0.14170102  1.0
  F  F13  1  0.21226588  0.21226588  0.64842562  1.0
  F  F14  1  0.18300774  0.81699226  0.14170102  1.0
  F  F15  1  0.18300774  0.81699226  0.85829898  1.0